6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide

C27H25NO3 — CID 21209585

IUPAC6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccccc3C)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H25NO3/c1-17-9-11-19(12-10-17)22-14-21(27(29)28-24-8-6-5-7-18(24)2)13-20-15-25(30-3)26(31-4)16-23(20)22/h5-16H,1-4H3,(H,28,29)
InChIKeyRSDPYLXWIAELGD-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.39
Rot. Bonds5

About 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide

6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide (PubChem CID 21209585) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
PubChem CID21209585
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccccc3C)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C27H25NO3/c1-17-9-11-19(12-10-17)22-14-21(27(29)28-24-8-6-5-7-18(24)2)13-20-15-25(30-3)26(31-4)16-23(20)22/h5-16H,1-4H3,(H,28,29)
InChIKeyRSDPYLXWIAELGD-UHFFFAOYSA-N
XLogP6.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-(4-methylphenyl)naphthalene-2-carboxamide
CID 21209594
6,7-dimethoxy-N-(4-methoxyphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
CID 2257718
6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 21209618
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide
CID 54190317
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide (CID 21209585) is 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide is COc1cc2cc(C(=O)Nc3ccccc3C)cc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is RSDPYLXWIAELGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-17-9-11-19(12-10-17)22-14-21(27(29)28-24-8-6-5-7-18(24)2)13-20-15-25(30-3)26(31-4)16-23(20)22/h5-16H,1-4H3,(H,28,29).
What are the key properties of 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide?
6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 21209585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).